2-[[4-(3-fluoro-4-methoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide

C19H20FN3O5 — CID 89412940

IUPAC2-[[4-(3-fluoro-4-methoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
SMILESCNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C19H20FN3O5/c1-21-17(24)16(18(25)22-27)23(2)19(26)12-6-4-11(5-7-12)13-8-9-15(28-3)14(20)10-13/h4-10,16,27H,1-3H3,(H,21,24)(H,22,25)
InChIKeySUXDJPLJBPQFKX-UHFFFAOYSA-N
MW389.38 g/mol
LogP1.19
Rot. Bonds6

About 2-[[4-(3-fluoro-4-methoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide

2-[[4-(3-fluoro-4-methoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide (PubChem CID 89412940) has the molecular formula C19H20FN3O5 and a molecular weight of 389.38 g/mol. Its IUPAC name is 2-[[4-(3-fluoro-4-methoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide.

Molecular Properties

Compound Name2-[[4-(3-fluoro-4-methoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
PubChem CID89412940
Molecular FormulaC19H20FN3O5
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name2-[[4-(3-fluoro-4-methoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
SMILESCNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C19H20FN3O5/c1-21-17(24)16(18(25)22-27)23(2)19(26)12-6-4-11(5-7-12)13-8-9-15(28-3)14(20)10-13/h4-10,16,27H,1-3H3,(H,21,24)(H,22,25)
InChIKeySUXDJPLJBPQFKX-UHFFFAOYSA-N
XLogP1.19
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(3,4-dimethoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413511
N-hydroxy-2-[[4-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]benzoyl]-methylamino]-N'-methylpropanediamide
CID 89447883
2-[[4-(2,3-dihydro-1-benzofuran-6-yl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413676
2-[[4-[4-(3-anilinopropylamino)phenyl]benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413067
N-hydroxy-N'-methyl-2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]propanediamide
CID 89413412
N-[(2R)-2,3-dihydroxypropyl]-4-(3-fluoro-4-methoxyphenyl)-N-methylbenzamide
CID 126443638
N-hydroxy-N'-methyl-2-[methyl-[4-[4-[3-[3-(methylamino)phenoxy]propylamino]phenyl]benzoyl]amino]propanediamide
CID 89413248
N-hydroxy-N'-methyl-2-[methyl-[4-(6-propoxy-3-pyridinyl)benzoyl]amino]propanediamide
CID 89413299
tert-butyl-[[4-[4-[[1-(hydroxyamino)-3-(methylamino)-1,3-dioxopropan-2-yl]-methylcarbamoyl]phenyl]-2-methylphenyl]methyl]carbamic acid
CID 89412968
N-hydroxy-N'-methyl-2-[methyl-[4-[3-(morpholin-4-ylmethyl)phenyl]benzoyl]amino]propanediamide
CID 89448015
N-hydroxy-N'-methyl-2-[methyl-[4-[4-(morpholin-4-ylmethyl)phenyl]benzoyl]amino]propanediamide
CID 89413528
N-hydroxy-2-[[4-(3-hydroxyprop-1-ynyl)benzoyl]-methylamino]-N'-methylpropanediamide
CID 130207847

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-fluoro-4-methoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide?
The IUPAC name of 2-[[4-(3-fluoro-4-methoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide (CID 89412940) is 2-[[4-(3-fluoro-4-methoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide.
What is the SMILES notation for 2-[[4-(3-fluoro-4-methoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide?
The canonical SMILES for 2-[[4-(3-fluoro-4-methoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide is CNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(OC)c(F)c2)cc1.
What is the InChIKey of 2-[[4-(3-fluoro-4-methoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide?
The InChIKey is SUXDJPLJBPQFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O5/c1-21-17(24)16(18(25)22-27)23(2)19(26)12-6-4-11(5-7-12)13-8-9-15(28-3)14(20)10-13/h4-10,16,27H,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 2-[[4-(3-fluoro-4-methoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide?
2-[[4-(3-fluoro-4-methoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide has a molecular weight of 389.38 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-fluoro-4-methoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide is sourced from PubChem (CID 89412940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).